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Substance Name: 9alpha-Hydroxyarteether
RN: 130855-38-8
InChIKey: WFIMQBUUYYWZTM-UHFFFAOYSA-N

Molecular Formula

  • C17-H28-O6

Molecular Weight

  • 328.402
 
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Names and Synonyms

Results Name

  • 9alpha-Hydroxyarteether

Synonym

  • 9alpha-Hydroxyarteether

Systematic Name

  • 3,12-Epoxy-12H-pyrano(3,4-j)-1,2-benzodioxepin-7-ol, 10-ethoxydecahydro-3,6,9-trimethyl-, (3R-(3alpha,5abeta,6beta,7beta,8abeta,9alpha,10alpha,12beta,12aR*))-

Registry Numbers

CAS Registry Number

  • 130855-38-8

System Generated Number

  • 0130855388

Structure Descriptors

InChI

1S/C17H28O6/c1-5-19-14-10(3)12-8-13(18)9(2)11-6-7-16(4)21-15(20-14)17(11,12)23-22-16/h9-15,18H,5-8H2,1-4H3

InChIKey

WFIMQBUUYYWZTM-UHFFFAOYSA-N

Smiles

O1[C@@H]2[C@@]34[C@@H]([C@@H]([C@@H]1OCC)C)C[C@@H]([C@@H]([C@@H]3CC[C@@](OO4)(C)O2)C)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.93 (none)   EXP
Water Solubility 607 mg/L 25 EST
Vapor Pressure 1.58E-08 mm Hg 25 EST
Henry's Law Constant 9.15E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.48E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.